⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17987717 | 0.88 | ERBB2 (0.30) | — | |
| SCHEMBL12656818 | 0.83 | ERBB2 (0.30) | — | |
| SCHEMBL13196338 | 0.80 | — | — | |
| SCHEMBL14491143 | 0.72 | — | — | |
| SCHEMBL13878998 | 0.72 | — | — | |
| SCHEMBL11932182 | 0.71 | — | — | |
| SCHEMBL15948656 | 0.69 | — | — | |
| SCHEMBL12313376 | 0.69 | CCNB2 (0.30) | — | |
| SCHEMBL12656815 | 0.68 | CCNE2 (0.33) | — | |
| SCHEMBL12656984 | 0.67 | F2R (0.35) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110230476-A1 | PI3 KINASE INHIBITORS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2011-09-22 | — | — | US | disclosed |